2,4-dichloro-N-(3-formylphenyl)benzamide

• ChemBase ID: 230968
• Molecular Formular: C14H9Cl2NO2
• Molecular Mass: 294.13276
• Monoisotopic Mass: 293.00103389
• SMILES: c1(C(=O)Nc2cc(C=O)ccc2)c(cc(cc1)Cl)Cl
• Canonical SMILES: O=Cc1cccc(c1)NC(=O)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H9Cl2NO2/c15-10-4-5-12(13(16)7-10)14(19)17-11-3-1-2-9(6-11)8-18/h1-8H,(H,17,19)
• InChIKey: NRMAEFLPESWJAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-N-(3-formylphenyl)benzamide
• IUPAC Traditional name: 2,4-dichloro-N-(3-formylphenyl)benzamide
• Synonyms: 2,4-Dichloro-N-(3-formyl-phenyl)-benzamide

Database IDs

• MDL Number: MFCD03964663
• PubChem SID: 164286878
• PubChem CID: 2384528

CALCULATED PROPERTIES

• Acid pKa: 10.512727
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9857183
• LogD (pH = 7.4): 3.985404
• Log P: 3.9857223
• Molar Refractivity: 77.7851 cm^3
• Polarizability: 28.6276 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.228

Product Information

• Purity: 95%